ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate

C22H21NO4S — CID 45381899

IUPACethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CC(=O)COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C22H21NO4S/c1-2-26-22(25)12-18-15-28-21(23-18)13-19(24)14-27-20-10-8-17(9-11-20)16-6-4-3-5-7-16/h3-11,15H,2,12-14H2,1H3
InChIKeyQWGCQTJGVZZPCD-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.11
Rot. Bonds9

About ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate (PubChem CID 45381899) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate
PubChem CID45381899
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Nameethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CC(=O)COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C22H21NO4S/c1-2-26-22(25)12-18-15-28-21(23-18)13-19(24)14-27-20-10-8-17(9-11-20)16-6-4-3-5-7-16/h3-11,15H,2,12-14H2,1H3
InChIKeyQWGCQTJGVZZPCD-UHFFFAOYSA-N
XLogP4.11
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 26989106
ethyl 2-[2-[(2-phenoxyacetyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate
CID 23762134
ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
CID 80574337
ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 16566879
1-(4-phenylphenoxy)butan-2-one
CID 62041258
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate
CID 80573402
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate (CID 45381899) is ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(CC(=O)COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is QWGCQTJGVZZPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-2-26-22(25)12-18-15-28-21(23-18)13-19(24)14-27-20-10-8-17(9-11-20)16-6-4-3-5-7-16/h3-11,15H,2,12-14H2,1H3.
What are the key properties of ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 395.48 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 45381899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).